(3,19-Dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl) 3-phenylprop-2-enoate
| Internal ID | b54b1856-4366-45b7-a7a4-0b071aea9bd9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Villanovane, atisane, trachylobane or helvifulvane diterpenoids > Atisane diterpenoids |
| IUPAC Name | (3,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl) 3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H33NO4/c1-15-10-28-13-18-24-27(2)11-17(31)12-29(24)25(28)22(33)20(15)23(21(28)26(29)30(18)14-27)34-19(32)9-8-16-6-4-3-5-7-16/h3-9,17-18,20-26,31,33H,1,10-14H2,2H3 |
| InChI Key | JZBNMSVUZKTTOR-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H33NO4 |
| Molecular Weight | 459.60 g/mol |
| Exact Mass | 459.24095853 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of (3,19-Dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl) 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3809cfe0-86e4-11ee-a1cb-cd92c3fdd843.jpg "2D Structure of (3,19-Dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-10-yl) 3-phenylprop-2-enoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.26% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.84% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.41% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.89% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.38% | 94.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.50% | 94.62% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.73% | 93.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.99% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.63% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 85.19% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.74% | 97.09% |
| CHEMBL2959 | Q08881 | Tyrosine-protein kinase ITK/TSK | 82.53% | 95.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Aconitum palmatum |
| PubChem | 162891602 |
| LOTUS | LTS0071874 |
| wikiData | Q105137336 |